2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide

C18H30N2O — CID 174416857

IUPAC2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide
SMILESCCCCc1ccc(CCC(N)C(=O)NC(C)CC)cc1
InChIInChI=1S/C18H30N2O/c1-4-6-7-15-8-10-16(11-9-15)12-13-17(19)18(21)20-14(3)5-2/h8-11,14,17H,4-7,12-13,19H2,1-3H3,(H,20,21)
InChIKeyXEASNKJDNMIWDM-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.20
Rot. Bonds9

About 2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide

2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide (PubChem CID 174416857) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide
PubChem CID174416857
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide
SMILESCCCCc1ccc(CCC(N)C(=O)NC(C)CC)cc1
InChIInChI=1S/C18H30N2O/c1-4-6-7-15-8-10-16(11-9-15)12-13-17(19)18(21)20-14(3)5-2/h8-11,14,17H,4-7,12-13,19H2,1-3H3,(H,20,21)
InChIKeyXEASNKJDNMIWDM-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide
CID 104984814
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
methyl 2-amino-4-(4-octylphenyl)butanoate;hydrochloride
CID 22618877
(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
CID 79011565
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 114928414
(2R)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45254608
2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45483181
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide?
The IUPAC name of 2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide (CID 174416857) is 2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide?
The canonical SMILES for 2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide is CCCCc1ccc(CCC(N)C(=O)NC(C)CC)cc1.
What is the InChIKey of 2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide?
The InChIKey is XEASNKJDNMIWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-6-7-15-8-10-16(11-9-15)12-13-17(19)18(21)20-14(3)5-2/h8-11,14,17H,4-7,12-13,19H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide?
2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide has a molecular weight of 290.45 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-4-(4-butylphenyl)butanamide is sourced from PubChem (CID 174416857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).