3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide

C17H23N3O2 — CID 119700137

IUPAC3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1
InChIInChI=1S/C17H23N3O2/c18-13-3-1-2-12(10-13)17(22)20-15-8-6-14(7-9-15)19-16(21)11-4-5-11/h6-9,11-13H,1-5,10,18H2,(H,19,21)(H,20,22)
InChIKeyIOVXUOCBFFJMFS-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.49
Rot. Bonds4

About 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 119700137) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID119700137
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1
InChIInChI=1S/C17H23N3O2/c18-13-3-1-2-12(10-13)17(22)20-15-8-6-14(7-9-15)19-16(21)11-4-5-11/h6-9,11-13H,1-5,10,18H2,(H,19,21)(H,20,22)
InChIKeyIOVXUOCBFFJMFS-UHFFFAOYSA-N
XLogP2.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119702395
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 119757601
4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119698530

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide (CID 119700137) is 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)C1.
What is the InChIKey of 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is IOVXUOCBFFJMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-13-3-1-2-12(10-13)17(22)20-15-8-6-14(7-9-15)19-16(21)11-4-5-11/h6-9,11-13H,1-5,10,18H2,(H,19,21)(H,20,22).
What are the key properties of 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119700137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).