N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide

C18H28N2O — CID 62839563

IUPACN-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)N(Cc1ccccc1)C(C)C1CC1
InChIInChI=1S/C18H28N2O/c1-4-19-14(2)12-18(21)20(15(3)17-10-11-17)13-16-8-6-5-7-9-16/h5-9,14-15,17,19H,4,10-13H2,1-3H3
InChIKeyLUKAQUCSFDXBOU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.20
Rot. Bonds8

About N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide

N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide (PubChem CID 62839563) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
PubChem CID62839563
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)N(Cc1ccccc1)C(C)C1CC1
InChIInChI=1S/C18H28N2O/c1-4-19-14(2)12-18(21)20(15(3)17-10-11-17)13-16-8-6-5-7-9-16/h5-9,14-15,17,19H,4,10-13H2,1-3H3
InChIKeyLUKAQUCSFDXBOU-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
CID 119948804
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
CID 60948375
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
2-amino-N-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]acetamide
CID 60939851
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
CID 60592231
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide
CID 78913957
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119679054
2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913936
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide
CID 65229551

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide (CID 62839563) is N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)N(Cc1ccccc1)C(C)C1CC1.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide?
The InChIKey is LUKAQUCSFDXBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-19-14(2)12-18(21)20(15(3)17-10-11-17)13-16-8-6-5-7-9-16/h5-9,14-15,17,19H,4,10-13H2,1-3H3.
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide?
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide has a molecular weight of 288.44 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide is sourced from PubChem (CID 62839563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).