N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide

C19H27N3O2 — CID 95263169

IUPACN-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)NC[C@H]2CC=CCC2)c1
InChIInChI=1S/C19H27N3O2/c1-14(2)18(23)22-17-10-6-9-16(11-17)13-21-19(24)20-12-15-7-4-3-5-8-15/h3-4,6,9-11,14-15H,5,7-8,12-13H2,1-2H3,(H,22,23)(H2,20,21,24)/t15-/m0/s1
InChIKeyQLRPDGVKDRFAFU-HNNXBMFYSA-N
MW329.44 g/mol
LogP3.44
Rot. Bonds6

About N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide

N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide (PubChem CID 95263169) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
PubChem CID95263169
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)NC[C@H]2CC=CCC2)c1
InChIInChI=1S/C19H27N3O2/c1-14(2)18(23)22-17-10-6-9-16(11-17)13-21-19(24)20-12-15-7-4-3-5-8-15/h3-4,6,9-11,14-15H,5,7-8,12-13H2,1-2H3,(H,22,23)(H2,20,21,24)/t15-/m0/s1
InChIKeyQLRPDGVKDRFAFU-HNNXBMFYSA-N
XLogP3.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-[(piperidin-4-ylmethylcarbamoylamino)methyl]phenyl]butanamide
CID 166237669
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea
CID 95263296
N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 56798858
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]methyl]phenyl]acetamide
CID 95598555
(3R)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]oxolane-3-carboxamide
CID 94810981
N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389
2-[2-(cyclohex-3-en-1-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534233
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide (CID 95263169) is N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(CNC(=O)NC[C@H]2CC=CCC2)c1.
What is the InChIKey of N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide?
The InChIKey is QLRPDGVKDRFAFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)18(23)22-17-10-6-9-16(11-17)13-21-19(24)20-12-15-7-4-3-5-8-15/h3-4,6,9-11,14-15H,5,7-8,12-13H2,1-2H3,(H,22,23)(H2,20,21,24)/t15-/m0/s1.
What are the key properties of N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide?
N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide has a molecular weight of 329.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 95263169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).