4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride

C16H25ClN2O — CID 119265829

IUPAC4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CCCN.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13(15-9-10-15)18(16(19)8-5-11-17)12-14-6-3-2-4-7-14;/h2-4,6-7,13,15H,5,8-12,17H2,1H3;1H
InChIKeyBLCODCNAPPWDDJ-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.97
Rot. Bonds7

About 4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride

4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride (PubChem CID 119265829) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
PubChem CID119265829
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CCCN.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13(15-9-10-15)18(16(19)8-5-11-17)12-14-6-3-2-4-7-14;/h2-4,6-7,13,15H,5,8-12,17H2,1H3;1H
InChIKeyBLCODCNAPPWDDJ-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
CID 60948375
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide
CID 65229552
2-amino-N-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]acetamide
CID 60939851
3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
CID 119948804
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
CID 62839563
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide
CID 65229551
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
CID 60592231
N-benzyl-N-(1-cyclopropylethyl)-3-(4-fluorophenoxy)propanamide
CID 55595511
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119679054

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride (CID 119265829) is 4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride is CC(C1CC1)N(Cc1ccccc1)C(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride?
The InChIKey is BLCODCNAPPWDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-13(15-9-10-15)18(16(19)8-5-11-17)12-14-6-3-2-4-7-14;/h2-4,6-7,13,15H,5,8-12,17H2,1H3;1H.
What are the key properties of 4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride?
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119265829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).