methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate

C16H25ClN2O3 — CID 69175520

IUPACmethyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate
SMILESCOC(=O)NCCOCCC(NC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O3/c1-12(2)19-15(13-5-4-6-14(17)11-13)7-9-22-10-8-18-16(20)21-3/h4-6,11-12,15,19H,7-10H2,1-3H3,(H,18,20)
InChIKeySLDRIQHNYKWGIJ-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.14
Rot. Bonds9

About methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate

methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate (PubChem CID 69175520) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate
PubChem CID69175520
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Namemethyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate
SMILESCOC(=O)NCCOCCC(NC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O3/c1-12(2)19-15(13-5-4-6-14(17)11-13)7-9-22-10-8-18-16(20)21-3/h4-6,11-12,15,19H,7-10H2,1-3H3,(H,18,20)
InChIKeySLDRIQHNYKWGIJ-UHFFFAOYSA-N
XLogP3.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate 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 N-[2-[3-(5-chloro-2-methylphenyl)-3-(methylamino)propoxy]ethyl]carbamate
CID 69175225
methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate
CID 14496167
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
5-[(3-chlorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]-2-fluorobenzoic acid
CID 59378371
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
methyl N-[2-[(R)-[(3R)-1-tert-butylpiperidin-3-yl]-(3-chlorophenyl)methoxy]ethyl]carbamate
CID 68857402
3-[(3-chlorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]-4-methoxybenzoic acid
CID 56833240
tert-butyl N-[2-[1-(3-chlorophenyl)ethyl-ethylamino]ethyl]carbamate
CID 169245468
tert-butyl N-[3-amino-4-(3-chlorophenyl)-4-hydroxybutyl]carbamate
CID 83924561
3-(3-chlorophenyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 45193216
tert-butyl 3-[(R)-(3-chlorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]azepane-1-carboxylate
CID 68708683
(1S)-1-(3-chlorophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179257

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate?
The IUPAC name of methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate (CID 69175520) is methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate is COC(=O)NCCOCCC(NC(C)C)c1cccc(Cl)c1.
What is the InChIKey of methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate?
The InChIKey is SLDRIQHNYKWGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-12(2)19-15(13-5-4-6-14(17)11-13)7-9-22-10-8-18-16(20)21-3/h4-6,11-12,15,19H,7-10H2,1-3H3,(H,18,20).
What are the key properties of methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate?
methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate has a molecular weight of 328.84 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[3-(3-chlorophenyl)-3-(propan-2-ylamino)propoxy]ethyl]carbamate is sourced from PubChem (CID 69175520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).