N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide

C13H27N3O2 — CID 134583700

IUPACN-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)N[C@@H](CCCCN)C(=O)C(C)C
InChIInChI=1S/C13H27N3O2/c1-4-15-9-12(17)16-11(7-5-6-8-14)13(18)10(2)3/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyRLLIHZQPJYKSCF-NSHDSACASA-N
MW257.38 g/mol
LogP0.43
Rot. Bonds10

About N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide

N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide (PubChem CID 134583700) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide
PubChem CID134583700
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)N[C@@H](CCCCN)C(=O)C(C)C
InChIInChI=1S/C13H27N3O2/c1-4-15-9-12(17)16-11(7-5-6-8-14)13(18)10(2)3/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyRLLIHZQPJYKSCF-NSHDSACASA-N
XLogP0.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-3-(propan-2-ylamino)propanamide
CID 156560378
(4S)-8-amino-4-(tert-butylamino)-2-methyloctan-3-one
CID 177276653
6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane
CID 170713669
N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal
CID 91096311
(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid
CID 14299171
2-[(2-acetamidoacetyl)amino]-6-aminohexanamide;2-methylpropane
CID 142574713
7-amino-2,4-dimethylheptan-3-one
CID 116613359
6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoic acid
CID 18488436
N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide
CID 163742124
N-(1-amino-5-methyl-4-oxohexan-3-yl)-2-[(2-piperidin-1-ylacetyl)amino]acetamide
CID 167134006
2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide
CID 90165359
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide?
The IUPAC name of N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide (CID 134583700) is N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide.
What is the SMILES notation for N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide?
The canonical SMILES for N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide is CCNCC(=O)N[C@@H](CCCCN)C(=O)C(C)C.
What is the InChIKey of N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide?
The InChIKey is RLLIHZQPJYKSCF-NSHDSACASA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-15-9-12(17)16-11(7-5-6-8-14)13(18)10(2)3/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide?
N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.43, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide is sourced from PubChem (CID 134583700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).