N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide

C16H21N3O2 — CID 61252070

IUPACN-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide
SMILESCC(N)(C(=O)Nc1ccc(NC(=O)C2CC2)cc1)C1CC1
InChIInChI=1S/C16H21N3O2/c1-16(17,11-4-5-11)15(21)19-13-8-6-12(7-9-13)18-14(20)10-2-3-10/h6-11H,2-5,17H2,1H3,(H,18,20)(H,19,21)
InChIKeySWXBELPVSXKEID-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.10
Rot. Bonds5

About N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide

N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 61252070) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide
PubChem CID61252070
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide
SMILESCC(N)(C(=O)Nc1ccc(NC(=O)C2CC2)cc1)C1CC1
InChIInChI=1S/C16H21N3O2/c1-16(17,11-4-5-11)15(21)19-13-8-6-12(7-9-13)18-14(20)10-2-3-10/h6-11H,2-5,17H2,1H3,(H,18,20)(H,19,21)
InChIKeySWXBELPVSXKEID-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-amino-2-cyclopropylpropanamide
CID 60866095
2-amino-2-cyclopropyl-N-(4-propan-2-ylphenyl)propanamide
CID 60866090
2-amino-2-cyclopropyl-N-(4-methoxyphenyl)propanamide
CID 54925277
2-amino-2-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61237343
2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 60867551
2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide
CID 60867892
2-amino-2-cyclopropyl-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701447
2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide
CID 55118792
2-amino-N-(6-bromo-3-pyridinyl)-2-cyclopropylpropanamide
CID 103821261
N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
CID 167978229
2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945791
N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
CID 76896604

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide (CID 61252070) is N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide is CC(N)(C(=O)Nc1ccc(NC(=O)C2CC2)cc1)C1CC1.
What is the InChIKey of N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is SWXBELPVSXKEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(17,11-4-5-11)15(21)19-13-8-6-12(7-9-13)18-14(20)10-2-3-10/h6-11H,2-5,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide?
N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 61252070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).