N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide

C21H31N3O2 — CID 51936691

IUPACN-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESC[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C21H31N3O2/c1-14(22-15(2)20(25)23-18-6-4-3-5-7-18)16-10-12-19(13-11-16)24-21(26)17-8-9-17/h10-15,17-18,22H,3-9H2,1-2H3,(H,23,25)(H,24,26)/t14-,15-/m0/s1
InChIKeyGXMWIDMFQXOGOL-GJZGRUSLSA-N
MW357.50 g/mol
LogP3.52
Rot. Bonds7

About N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 51936691) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID51936691
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESC[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C21H31N3O2/c1-14(22-15(2)20(25)23-18-6-4-3-5-7-18)16-10-12-19(13-11-16)24-21(26)17-8-9-17/h10-15,17-18,22H,3-9H2,1-2H3,(H,23,25)(H,24,26)/t14-,15-/m0/s1
InChIKeyGXMWIDMFQXOGOL-GJZGRUSLSA-N
XLogP3.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650061
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025310
(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650158
(2S)-N-cyclopentyl-2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650109
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide (CID 51936691) is N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide is C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is GXMWIDMFQXOGOL-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14(22-15(2)20(25)23-18-6-4-3-5-7-18)16-10-12-19(13-11-16)24-21(26)17-8-9-17/h10-15,17-18,22H,3-9H2,1-2H3,(H,23,25)(H,24,26)/t14-,15-/m0/s1.
What are the key properties of N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 51936691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).