N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide

C14H29N3O2 — CID 129041586

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide
SMILESCCC(CC)NC(C(=O)NCC(=O)N(C)C)C(C)C
InChIInChI=1S/C14H29N3O2/c1-7-11(8-2)16-13(10(3)4)14(19)15-9-12(18)17(5)6/h10-11,13,16H,7-9H2,1-6H3,(H,15,19)
InChIKeyXFLVPQAJTWPHTO-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.99
Rot. Bonds8

About N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide

N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide (PubChem CID 129041586) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide
PubChem CID129041586
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide
SMILESCCC(CC)NC(C(=O)NCC(=O)N(C)C)C(C)C
InChIInChI=1S/C14H29N3O2/c1-7-11(8-2)16-13(10(3)4)14(19)15-9-12(18)17(5)6/h10-11,13,16H,7-9H2,1-6H3,(H,15,19)
InChIKeyXFLVPQAJTWPHTO-UHFFFAOYSA-N
XLogP0.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane
CID 162738491
N,N-dimethyl-2-(2-methylpentan-3-ylamino)acetamide
CID 43775382
2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468179
2-(1-methoxybutan-2-ylamino)-N,N,3-trimethylbutanamide
CID 115711311
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylpentanoic acid
CID 61197820
2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761
2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide
CID 43311123
2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide
CID 143361850
5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
CID 62963822
3-(1-hydroxybutan-2-ylamino)-N,N-dimethylbutanamide
CID 110878963
(2R)-2-(carbamoylamino)-N-[2-(dimethylamino)-2-oxoethyl]pentanamide
CID 94200506
ethyl N-[2-(dimethylamino)-2-oxoethyl]carbamate
CID 60652344

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide (CID 129041586) is N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide is CCC(CC)NC(C(=O)NCC(=O)N(C)C)C(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide?
The InChIKey is XFLVPQAJTWPHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-7-11(8-2)16-13(10(3)4)14(19)15-9-12(18)17(5)6/h10-11,13,16H,7-9H2,1-6H3,(H,15,19).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide has a molecular weight of 271.40 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide is sourced from PubChem (CID 129041586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).