(2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium

C13H25FmN2O4- — CID 163281667

IUPAC(2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium
SMILESCCC(C)CN(CC(OC)OC)C(=O)[C@H](C)N[C-]=O.[Fm]
InChIInChI=1S/C13H25N2O4.Fm/c1-6-10(2)7-15(8-12(18-4)19-5)13(17)11(3)14-9-16;/h10-12H,6-8H2,1-5H3,(H,14,16);/q-1;/t10?,11-;/m0./s1
InChIKeyZMKSVJLPJOLSLE-GQNCZFCYSA-N
MW530.35 g/mol
LogP0.53
Rot. Bonds10

About (2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium

(2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium (PubChem CID 163281667) has the molecular formula C13H25FmN2O4- and a molecular weight of 530.35 g/mol. Its IUPAC name is (2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium.

Molecular Properties

Compound Name(2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium
PubChem CID163281667
Molecular FormulaC13H25FmN2O4-
Molecular Weight530.35 g/mol
Exact Mass530.28
IUPAC Name(2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium
SMILESCCC(C)CN(CC(OC)OC)C(=O)[C@H](C)N[C-]=O.[Fm]
InChIInChI=1S/C13H25N2O4.Fm/c1-6-10(2)7-15(8-12(18-4)19-5)13(17)11(3)14-9-16;/h10-12H,6-8H2,1-5H3,(H,14,16);/q-1;/t10?,11-;/m0./s1
InChIKeyZMKSVJLPJOLSLE-GQNCZFCYSA-N
XLogP0.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2,2-dimethoxyethyl)-2-formamido-N-(2-methylbutyl)propanamide
CID 163281668
2-amino-N-(2,2-diethoxyethyl)-3-hydroxy-N-(2-methylbutyl)propanamide
CID 169005613
2-amino-N-(2,2-diethoxyethyl)-4-methyl-N-(2-methylbutyl)pentanamide
CID 169005620
methyl N-[1-[2,2-diethoxyethyl(2-methylbutyl)amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 175713309
N,N-diethyl-2-(2-methoxypropanoylamino)propanamide
CID 115588502
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
CID 79471014
(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965
N,N-diethyl-2-(methoxyamino)propanamide
CID 60721258
tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
CID 87525206
methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 115590943
1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea
CID 91137504
methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
CID 81089731

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium?
The IUPAC name of (2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium (CID 163281667) is (2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium.
What is the SMILES notation for (2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium?
The canonical SMILES for (2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium is CCC(C)CN(CC(OC)OC)C(=O)[C@H](C)N[C-]=O.[Fm].
What is the InChIKey of (2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium?
The InChIKey is ZMKSVJLPJOLSLE-GQNCZFCYSA-N. The full InChI is InChI=1S/C13H25N2O4.Fm/c1-6-10(2)7-15(8-12(18-4)19-5)13(17)11(3)14-9-16;/h10-12H,6-8H2,1-5H3,(H,14,16);/q-1;/t10?,11-;/m0./s1.
What are the key properties of (2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium?
(2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium has a molecular weight of 530.35 g/mol, XLogP of 0.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,2-dimethoxyethyl)-N-(2-methylbutyl)-2-(oxomethylamino)propanamide;fermium is sourced from PubChem (CID 163281667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).