N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide

C15H21N3O3 — CID 39193167

IUPACN-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide
SMILESCOc1cc(NC(=O)CCCN)ccc1NC(=O)C1CC1
InChIInChI=1S/C15H21N3O3/c1-21-13-9-11(17-14(19)3-2-8-16)6-7-12(13)18-15(20)10-4-5-10/h6-7,9-10H,2-5,8,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyHXYBFIYBZDKIOS-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.72
Rot. Bonds7

About N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide

N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide (PubChem CID 39193167) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide
PubChem CID39193167
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide
SMILESCOc1cc(NC(=O)CCCN)ccc1NC(=O)C1CC1
InChIInChI=1S/C15H21N3O3/c1-21-13-9-11(17-14(19)3-2-8-16)6-7-12(13)18-15(20)10-4-5-10/h6-7,9-10H,2-5,8,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyHXYBFIYBZDKIOS-UHFFFAOYSA-N
XLogP1.72
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide
CID 119713207
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 39193182
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]propanamide
CID 39184528
4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide
CID 119331495
6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide (CID 39193167) is N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide is COc1cc(NC(=O)CCCN)ccc1NC(=O)C1CC1.
What is the InChIKey of N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide?
The InChIKey is HXYBFIYBZDKIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-13-9-11(17-14(19)3-2-8-16)6-7-12(13)18-15(20)10-4-5-10/h6-7,9-10H,2-5,8,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide?
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 39193167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).