1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide

C13H17N3O2 — CID 119785778

IUPAC1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H17N3O2/c14-13(7-8-13)12(18)15-9-6-11(17)16-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,15,18)(H,16,17)
InChIKeyBCMFZPVJNUVBTL-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.62
Rot. Bonds5

About 1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide

1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide (PubChem CID 119785778) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide
PubChem CID119785778
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H17N3O2/c14-13(7-8-13)12(18)15-9-6-11(17)16-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,15,18)(H,16,17)
InChIKeyBCMFZPVJNUVBTL-UHFFFAOYSA-N
XLogP0.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide
CID 119867759
3-acetamido-N-phenylpropanamide
CID 7946185
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
N-(3-anilino-3-oxopropyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119785811
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
2-amino-N-(3-anilino-3-oxopropyl)-2-methylpentanamide
CID 119785826
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide
CID 119785804
N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide
CID 110014616
3-fluoro-N-phenylpropanamide
CID 70366284
1-amino-N-[4-(3-phenylpropyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119769369
1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide (CID 119785778) is 1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide is NC1(C(=O)NCCC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide?
The InChIKey is BCMFZPVJNUVBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-13(7-8-13)12(18)15-9-6-11(17)16-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,15,18)(H,16,17).
What are the key properties of 1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide?
1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119785778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).