1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide

C18H26ClN3O3 — CID 119341646

IUPAC1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C18H26ClN3O3/c1-12-10-14(15(25-2)11-13(12)19)22-16(23)6-9-21-17(24)18(20)7-4-3-5-8-18/h10-11H,3-9,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLTHAUUUWMRVXDZ-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.76
Rot. Bonds6

About 1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide

1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide (PubChem CID 119341646) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
PubChem CID119341646
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)C1(N)CCCCC1
InChIInChI=1S/C18H26ClN3O3/c1-12-10-14(15(25-2)11-13(12)19)22-16(23)6-9-21-17(24)18(20)7-4-3-5-8-18/h10-11H,3-9,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLTHAUUUWMRVXDZ-UHFFFAOYSA-N
XLogP2.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-aminophenyl)acetyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 119815061
1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 39965916
2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide
CID 119815091
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
CID 119815078
2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-methylpentanamide;hydrochloride
CID 119815090
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
3-[(2-amino-2-phenylacetyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 119341638
(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)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016508
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
(2S)-2-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
CID 119341627

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide (CID 119341646) is 1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide?
The InChIKey is LTHAUUUWMRVXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-12-10-14(15(25-2)11-13(12)19)22-16(23)6-9-21-17(24)18(20)7-4-3-5-8-18/h10-11H,3-9,20H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide?
1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119341646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).