N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide

C16H22ClN3O3 — CID 119815029

IUPACN-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNC(=O)CNCC1CC1
InChIInChI=1S/C16H22ClN3O3/c1-23-14-5-4-12(17)8-13(14)20-15(21)6-7-19-16(22)10-18-9-11-2-3-11/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyMMSAUKLYWITTAD-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.79
Rot. Bonds9

About N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide (PubChem CID 119815029) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
PubChem CID119815029
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNC(=O)CNCC1CC1
InChIInChI=1S/C16H22ClN3O3/c1-23-14-5-4-12(17)8-13(14)20-15(21)6-7-19-16(22)10-18-9-11-2-3-11/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyMMSAUKLYWITTAD-UHFFFAOYSA-N
XLogP1.79
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]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-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119815078
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide
CID 38764224
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706
2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976520
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028066
2-amino-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-3-methoxypropanamide
CID 120991653

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide (CID 119815029) is N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide is COc1ccc(Cl)cc1NC(=O)CCNC(=O)CNCC1CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide?
The InChIKey is MMSAUKLYWITTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-23-14-5-4-12(17)8-13(14)20-15(21)6-7-19-16(22)10-18-9-11-2-3-11/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide has a molecular weight of 339.82 g/mol, XLogP of 1.79, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide is sourced from PubChem (CID 119815029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).