N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide

C19H24N2O2 — CID 97011516

IUPACN-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)c1)C1CCC1
InChIInChI=1S/C19H24N2O2/c22-18(14-4-2-5-14)21-15-6-1-3-12(9-15)11-20-19(23)17-10-16(17)13-7-8-13/h1,3,6,9,13-14,16-17H,2,4-5,7-8,10-11H2,(H,20,23)(H,21,22)/t16-,17+/m0/s1
InChIKeyPCDZSCUZKDJIKP-DLBZAZTESA-N
MW312.41 g/mol
LogP3.09
Rot. Bonds6

About N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide

N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide (PubChem CID 97011516) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide
PubChem CID97011516
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)c1)C1CCC1
InChIInChI=1S/C19H24N2O2/c22-18(14-4-2-5-14)21-15-6-1-3-12(9-15)11-20-19(23)17-10-16(17)13-7-8-13/h1,3,6,9,13-14,16-17H,2,4-5,7-8,10-11H2,(H,20,23)(H,21,22)/t16-,17+/m0/s1
InChIKeyPCDZSCUZKDJIKP-DLBZAZTESA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide with MolForge

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Related Compounds

9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985547
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide
CID 167928606
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 75482501
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351630
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide (CID 97011516) is N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide is O=C(Nc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)c1)C1CCC1.
What is the InChIKey of N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide?
The InChIKey is PCDZSCUZKDJIKP-DLBZAZTESA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18(14-4-2-5-14)21-15-6-1-3-12(9-15)11-20-19(23)17-10-16(17)13-7-8-13/h1,3,6,9,13-14,16-17H,2,4-5,7-8,10-11H2,(H,20,23)(H,21,22)/t16-,17+/m0/s1.
What are the key properties of N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide?
N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 97011516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).