2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide

C22H42N2O2 — CID 134421876

IUPAC2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide
SMILESC=CCC(C)(C)C(=O)NC(C(=O)N(C)C(CCC)[C@@H](C)CC)[C@H](C)CC
InChIInChI=1S/C22H42N2O2/c1-10-14-18(16(5)12-3)24(9)20(25)19(17(6)13-4)23-21(26)22(7,8)15-11-2/h11,16-19H,2,10,12-15H2,1,3-9H3,(H,23,26)/t16-,17+,18?,19?/m0/s1
InChIKeyDDMSUYUYEBTDEY-FKAKGIQBSA-N
MW366.59 g/mol
LogP4.79
Rot. Bonds12

About 2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide

2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide (PubChem CID 134421876) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide
PubChem CID134421876
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC Name2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide
SMILESC=CCC(C)(C)C(=O)NC(C(=O)N(C)C(CCC)[C@@H](C)CC)[C@H](C)CC
InChIInChI=1S/C22H42N2O2/c1-10-14-18(16(5)12-3)24(9)20(25)19(17(6)13-4)23-21(26)22(7,8)15-11-2/h11,16-19H,2,10,12-15H2,1,3-9H3,(H,23,26)/t16-,17+,18?,19?/m0/s1
InChIKeyDDMSUYUYEBTDEY-FKAKGIQBSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-prop-2-enylbutanediamide
CID 9855374
(2S,3R)-N'-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-hydroxy-2-methyl-3-(2-methylpropyl)-2-prop-2-enylbutanediamide
CID 44281563
6-[[(2S)-2-amino-3-methylbutanoyl]-undec-10-enoylamino]hexyl-trimethylazanium
CID 90813321
N-[(2S)-2-amino-3-methylbutanoyl]-N-[4-(dimethylamino)henicosyl]undec-10-enamide
CID 91005652
3-[[(2S)-2-amino-3-methylbutanoyl]-undec-10-enoylamino]propyl-trimethylazanium
CID 91373260
trimethyl-[3-[[(2S)-3-methyl-2-(undec-10-enoylamino)butanoyl]amino]propyl]azanium
CID 91435066
N-[(2S)-2-amino-3-methylbutanoyl]-N-[7-(dimethylamino)tetracosyl]undec-10-enamide
CID 91552570
N,2,2-trimethyl-3-(2-methylprop-1-enyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 47126937
2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide
CID 21366382
2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide
CID 21366384
1-Cyclohept-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 22984645
1-Cyclohept-4-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 22984653

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide?
The IUPAC name of 2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide (CID 134421876) is 2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide?
The canonical SMILES for 2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide is C=CCC(C)(C)C(=O)NC(C(=O)N(C)C(CCC)[C@@H](C)CC)[C@H](C)CC.
What is the InChIKey of 2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide?
The InChIKey is DDMSUYUYEBTDEY-FKAKGIQBSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-10-14-18(16(5)12-3)24(9)20(25)19(17(6)13-4)23-21(26)22(7,8)15-11-2/h11,16-19H,2,10,12-15H2,1,3-9H3,(H,23,26)/t16-,17+,18?,19?/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide?
2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide has a molecular weight of 366.59 g/mol, XLogP of 4.79, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3R)-3-methyl-1-[methyl-[(3S)-3-methylheptan-4-yl]amino]-1-oxopentan-2-yl]pent-4-enamide is sourced from PubChem (CID 134421876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).