N-(2-acetamidoethyl)-2-amino-3-methylpentanamide

C10H21N3O2 — CID 43552884

IUPACN-(2-acetamidoethyl)-2-amino-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCNC(C)=O
InChIInChI=1S/C10H21N3O2/c1-4-7(2)9(11)10(15)13-6-5-12-8(3)14/h7,9H,4-6,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyKMDBHAVXXCXEOO-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.39
Rot. Bonds6

About N-(2-acetamidoethyl)-2-amino-3-methylpentanamide

N-(2-acetamidoethyl)-2-amino-3-methylpentanamide (PubChem CID 43552884) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-amino-3-methylpentanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-amino-3-methylpentanamide
PubChem CID43552884
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-(2-acetamidoethyl)-2-amino-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCCNC(C)=O
InChIInChI=1S/C10H21N3O2/c1-4-7(2)9(11)10(15)13-6-5-12-8(3)14/h7,9H,4-6,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyKMDBHAVXXCXEOO-UHFFFAOYSA-N
XLogP-0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 63958849
2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide
CID 115739288
2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride
CID 119704356
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
(2S,3S)-2-amino-3-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 61179210
2-[(2-amino-3-methylpentanoyl)amino]ethanesulfonic acid
CID 23189977
4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid
CID 80540178

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-amino-3-methylpentanamide?
The IUPAC name of N-(2-acetamidoethyl)-2-amino-3-methylpentanamide (CID 43552884) is N-(2-acetamidoethyl)-2-amino-3-methylpentanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-amino-3-methylpentanamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-amino-3-methylpentanamide is CCC(C)C(N)C(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-amino-3-methylpentanamide?
The InChIKey is KMDBHAVXXCXEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-4-7(2)9(11)10(15)13-6-5-12-8(3)14/h7,9H,4-6,11H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-acetamidoethyl)-2-amino-3-methylpentanamide?
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide has a molecular weight of 215.30 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-amino-3-methylpentanamide is sourced from PubChem (CID 43552884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).