N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide

C17H26N2O — CID 89312516

IUPACN-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
SMILESCC(CC1CCCCC1)NCc1ccccc1NC=O
InChIInChI=1S/C17H26N2O/c1-14(11-15-7-3-2-4-8-15)18-12-16-9-5-6-10-17(16)19-13-20/h5-6,9-10,13-15,18H,2-4,7-8,11-12H2,1H3,(H,19,20)
InChIKeySDHISCXBQTUFFE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.70
Rot. Bonds7

About N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide

N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide (PubChem CID 89312516) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
PubChem CID89312516
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
SMILESCC(CC1CCCCC1)NCc1ccccc1NC=O
InChIInChI=1S/C17H26N2O/c1-14(11-15-7-3-2-4-8-15)18-12-16-9-5-6-10-17(16)19-13-20/h5-6,9-10,13-15,18H,2-4,7-8,11-12H2,1H3,(H,19,20)
InChIKeySDHISCXBQTUFFE-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]formamide
CID 87716622
1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene
CID 68948994
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-propan-2-ylthiourea
CID 87633689
2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
CID 69154711
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
N-[2-[(1-cycloheptylpropan-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 68951696
4-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]benzenesulfonamide
CID 68952611
1-(benzenecarbonothioyl)-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 87632933
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-3-(2,4-dichlorophenyl)urea
CID 68953823
1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
CID 146001154
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-1H-imidazole-5-sulfonamide
CID 68948836
[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
CID 71147587

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide?
The IUPAC name of N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide (CID 89312516) is N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide.
What is the SMILES notation for N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide?
The canonical SMILES for N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide is CC(CC1CCCCC1)NCc1ccccc1NC=O.
What is the InChIKey of N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide?
The InChIKey is SDHISCXBQTUFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(11-15-7-3-2-4-8-15)18-12-16-9-5-6-10-17(16)19-13-20/h5-6,9-10,13-15,18H,2-4,7-8,11-12H2,1H3,(H,19,20).
What are the key properties of N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide?
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide has a molecular weight of 274.41 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide is sourced from PubChem (CID 89312516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).