N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide

C23H35N5O4 — CID 59290471

IUPACN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide
SMILESCOC(CN(C(=O)CCOCCc1cccc(-c2nnn(C)n2)c1)C1CCCCC1)OC
InChIInChI=1S/C23H35N5O4/c1-27-25-23(24-26-27)19-9-7-8-18(16-19)12-14-32-15-13-21(29)28(17-22(30-2)31-3)20-10-5-4-6-11-20/h7-9,16,20,22H,4-6,10-15,17H2,1-3H3
InChIKeyRKAJZEFNMHIXAD-UHFFFAOYSA-N
MW445.56 g/mol
LogP2.61
Rot. Bonds12

About N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide

N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide (PubChem CID 59290471) has the molecular formula C23H35N5O4 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide
PubChem CID59290471
Molecular FormulaC23H35N5O4
Molecular Weight445.56 g/mol
Exact Mass445.27
IUPAC NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide
SMILESCOC(CN(C(=O)CCOCCc1cccc(-c2nnn(C)n2)c1)C1CCCCC1)OC
InChIInChI=1S/C23H35N5O4/c1-27-25-23(24-26-27)19-9-7-8-18(16-19)12-14-32-15-13-21(29)28(17-22(30-2)31-3)20-10-5-4-6-11-20/h7-9,16,20,22H,4-6,10-15,17H2,1-3H3
InChIKeyRKAJZEFNMHIXAD-UHFFFAOYSA-N
XLogP2.61
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(5-methyl-1H-imidazol-2-yl)phenyl]ethoxy]propanamide
CID 90755681
3-[2-[3-[2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethyl]phenyl]ethoxy]-N-cyclopropyl-N-(2,2-dimethoxyethyl)propanamide
CID 129049932
3-[2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]ethoxy]-N-cyclopropyl-N-(2,2-dimethoxyethyl)propanamide
CID 129050139
1-cycloheptyl-1-[[3-(2-methyltetrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10647055
[3-[cyclohexyl(2,2-dimethoxyethyl)amino]-3-oxopropyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 67545880
3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-propan-2-ylpropanamide
CID 129050055
[(3aR,6aS)-2-[[4-[2-[3-[cyclopropyl(2,2-dimethoxyethyl)amino]-3-oxopropoxy]ethyl]phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl] N-(2-phenylphenyl)carbamate
CID 129050254
3-[2-[4-[[(3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide
CID 129050277
N-cyclohexyl-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]-3-[2-[3-(1,2,4-oxadiazol-3-yl)phenyl]ethoxy]propanamide
CID 59290409
N-(2,2-dimethoxyethyl)-N-methyl-3-[2-[3-[2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]ethoxy]propanamide;ethane
CID 142313752
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-methoxy-N-[2-[4-(2-methyltetrazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 87539874

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide?
The IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide (CID 59290471) is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide.
What is the SMILES notation for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide?
The canonical SMILES for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide is COC(CN(C(=O)CCOCCc1cccc(-c2nnn(C)n2)c1)C1CCCCC1)OC.
What is the InChIKey of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide?
The InChIKey is RKAJZEFNMHIXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O4/c1-27-25-23(24-26-27)19-9-7-8-18(16-19)12-14-32-15-13-21(29)28(17-22(30-2)31-3)20-10-5-4-6-11-20/h7-9,16,20,22H,4-6,10-15,17H2,1-3H3.
What are the key properties of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide?
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide has a molecular weight of 445.56 g/mol, XLogP of 2.61, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(2-methyltetrazol-5-yl)phenyl]ethoxy]propanamide is sourced from PubChem (CID 59290471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).