N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride

C17H25Cl2N3O3 — CID 119815078

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)CNCC1CC1.Cl
InChIInChI=1S/C17H24ClN3O3.ClH/c1-11-7-14(15(24-2)8-13(11)18)21-16(22)5-6-20-17(23)10-19-9-12-3-4-12;/h7-8,12,19H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,22);1H
InChIKeyIGWSVEIHDYVVRO-UHFFFAOYSA-N
MW390.31 g/mol
LogP2.52
Rot. Bonds9

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride

N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride (PubChem CID 119815078) has the molecular formula C17H25Cl2N3O3 and a molecular weight of 390.31 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
PubChem CID119815078
Molecular FormulaC17H25Cl2N3O3
Molecular Weight390.31 g/mol
Exact Mass389.13
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)CNCC1CC1.Cl
InChIInChI=1S/C17H24ClN3O3.ClH/c1-11-7-14(15(24-2)8-13(11)18)21-16(22)5-6-20-17(23)10-19-9-12-3-4-12;/h7-8,12,19H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,22);1H
InChIKeyIGWSVEIHDYVVRO-UHFFFAOYSA-N
XLogP2.52
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119815029
3-[[2-(4-aminophenyl)acetyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 119815061
2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride
CID 119815090
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47205603
1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119341646
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016508
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide
CID 119815091
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
(2S,5R)-5-(aminomethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]oxolane-2-carboxamide
CID 120795982
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride (CID 119815078) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride is COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)CNCC1CC1.Cl.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride?
The InChIKey is IGWSVEIHDYVVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3.ClH/c1-11-7-14(15(24-2)8-13(11)18)21-16(22)5-6-20-17(23)10-19-9-12-3-4-12;/h7-8,12,19H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,22);1H.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride has a molecular weight of 390.31 g/mol, XLogP of 2.52, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride is sourced from PubChem (CID 119815078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).