(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide

C16H26N2O — CID 104983873

IUPAC(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
SMILESCCCN(C(=O)[C@@H](N)CCc1ccccc1)C(C)C
InChIInChI=1S/C16H26N2O/c1-4-12-18(13(2)3)16(19)15(17)11-10-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12,17H2,1-3H3/t15-/m0/s1
InChIKeyCFAYRVRLCGBCIF-HNNXBMFYSA-N
MW262.40 g/mol
LogP2.59
Rot. Bonds7

About (2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide

(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide (PubChem CID 104983873) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
PubChem CID104983873
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
SMILESCCCN(C(=O)[C@@H](N)CCc1ccccc1)C(C)C
InChIInChI=1S/C16H26N2O/c1-4-12-18(13(2)3)16(19)15(17)11-10-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12,17H2,1-3H3/t15-/m0/s1
InChIKeyCFAYRVRLCGBCIF-HNNXBMFYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide
CID 114926657
(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 104983951
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
2-[(2-amino-4-phenylbutanoyl)-propylamino]acetic acid
CID 114927997
2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840
4-amino-5-oxo-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 64896188
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
3-amino-5-phenylpentan-2-one;propane
CID 143988472
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050
(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide
CID 104984632
(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide
CID 104984735

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide?
The IUPAC name of (2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide (CID 104983873) is (2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide.
What is the SMILES notation for (2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide?
The canonical SMILES for (2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide is CCCN(C(=O)[C@@H](N)CCc1ccccc1)C(C)C.
What is the InChIKey of (2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide?
The InChIKey is CFAYRVRLCGBCIF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-12-18(13(2)3)16(19)15(17)11-10-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12,17H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide?
(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide is sourced from PubChem (CID 104983873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).