methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate

C18H26N6O3 — CID 23961348

IUPACmethyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate
SMILESCOC(=O)Cn1nnnc1C(NC1CCC(N)CC1)c1cccc(OC)c1
InChIInChI=1S/C18H26N6O3/c1-26-15-5-3-4-12(10-15)17(20-14-8-6-13(19)7-9-14)18-21-22-23-24(18)11-16(25)27-2/h3-5,10,13-14,17,20H,6-9,11,19H2,1-2H3
InChIKeyBDQVHRKIOWIKRK-UHFFFAOYSA-N
MW374.45 g/mol
LogP0.80
Rot. Bonds7

About methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate

methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate (PubChem CID 23961348) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate
PubChem CID23961348
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Namemethyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate
SMILESCOC(=O)Cn1nnnc1C(NC1CCC(N)CC1)c1cccc(OC)c1
InChIInChI=1S/C18H26N6O3/c1-26-15-5-3-4-12(10-15)17(20-14-8-6-13(19)7-9-14)18-21-22-23-24(18)11-16(25)27-2/h3-5,10,13-14,17,20H,6-9,11,19H2,1-2H3
InChIKeyBDQVHRKIOWIKRK-UHFFFAOYSA-N
XLogP0.80
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate 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

methyl 4-[[(4-aminocyclohexyl)amino]-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]methyl]benzoate
CID 23821271
4-N-[(1-butyltetrazol-5-yl)-(3-nitrophenyl)methyl]cyclohexane-1,4-diamine
CID 23904250
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide
CID 97341188
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
3-[[[1-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]-(3-hydroxy-4-methoxyphenyl)methyl]amino]-3-(3-methylphenyl)propanoic acid
CID 23855134
ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
CID 60998192
4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide
CID 112515974
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine
CID 81375811

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate?
The IUPAC name of methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate (CID 23961348) is methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate is COC(=O)Cn1nnnc1C(NC1CCC(N)CC1)c1cccc(OC)c1.
What is the InChIKey of methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate?
The InChIKey is BDQVHRKIOWIKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-26-15-5-3-4-12(10-15)17(20-14-8-6-13(19)7-9-14)18-21-22-23-24(18)11-16(25)27-2/h3-5,10,13-14,17,20H,6-9,11,19H2,1-2H3.
What are the key properties of methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate?
methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate has a molecular weight of 374.45 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 23961348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).