4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide

C17H26N2O3 — CID 120560197

IUPAC4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
SMILESCOc1ccc(OC)c(CN(C(=O)CCC(C)N)C2CC2)c1
InChIInChI=1S/C17H26N2O3/c1-12(18)4-9-17(20)19(14-5-6-14)11-13-10-15(21-2)7-8-16(13)22-3/h7-8,10,12,14H,4-6,9,11,18H2,1-3H3
InChIKeyRIDWBONLQWSAGX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.32
Rot. Bonds8

About 4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide

4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide (PubChem CID 120560197) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
PubChem CID120560197
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
SMILESCOc1ccc(OC)c(CN(C(=O)CCC(C)N)C2CC2)c1
InChIInChI=1S/C17H26N2O3/c1-12(18)4-9-17(20)19(14-5-6-14)11-13-10-15(21-2)7-8-16(13)22-3/h7-8,10,12,14H,4-6,9,11,18H2,1-3H3
InChIKeyRIDWBONLQWSAGX-UHFFFAOYSA-N
XLogP2.32
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119286967
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46545952
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 33079090
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)acetamide
CID 78860034
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 33080733
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55830000
4-amino-N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide
CID 120562266
4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pentanamide;hydrochloride
CID 120563897
N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 33080763
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119286963

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide (CID 120560197) is 4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide is COc1ccc(OC)c(CN(C(=O)CCC(C)N)C2CC2)c1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide?
The InChIKey is RIDWBONLQWSAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(18)4-9-17(20)19(14-5-6-14)11-13-10-15(21-2)7-8-16(13)22-3/h7-8,10,12,14H,4-6,9,11,18H2,1-3H3.
What are the key properties of 4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide?
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide has a molecular weight of 306.41 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 120560197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).