N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide

C14H29N3O2 — CID 119666894

IUPACN-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCCCCC(CN)NC(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-5-6-7-11(9-15)17-13(19)10-16-12(18)8-14(2,3)4/h11H,5-10,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyZNRQODCJKSDSRB-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.17
Rot. Bonds8

About N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 119666894) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID119666894
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCCCCC(CN)NC(=O)CNC(=O)CC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-5-6-7-11(9-15)17-13(19)10-16-12(18)8-14(2,3)4/h11H,5-10,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyZNRQODCJKSDSRB-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021601
N-(1-aminohexan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603533
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 119665633
2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide
CID 122080967
N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide
CID 122080965
N-(1-aminohexan-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 119668833
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N-(1-aminohexan-2-yl)-3-propoxypropanamide
CID 80697621
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3-bromobenzamide
CID 119665856
2-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119668001
2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]propanoic acid
CID 119225652

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide (CID 119666894) is N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide is CCCCC(CN)NC(=O)CNC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is ZNRQODCJKSDSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-6-7-11(9-15)17-13(19)10-16-12(18)8-14(2,3)4/h11H,5-10,15H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 271.40 g/mol, XLogP of 1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminohexan-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119666894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).