2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide

C9H18N4O3 — CID 103108802

IUPAC2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC(=O)NC(N)=O
InChIInChI=1S/C9H18N4O3/c1-4-13(3)8(15)6(2)11-5-7(14)12-9(10)16/h6,11H,4-5H2,1-3H3,(H3,10,12,14,16)
InChIKeyNMINRNSKFCMUPS-UHFFFAOYSA-N
MW230.27 g/mol
LogP-1.36
Rot. Bonds5

About 2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide

2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 103108802) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
PubChem CID103108802
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC(=O)NC(N)=O
InChIInChI=1S/C9H18N4O3/c1-4-13(3)8(15)6(2)11-5-7(14)12-9(10)16/h6,11H,4-5H2,1-3H3,(H3,10,12,14,16)
InChIKeyNMINRNSKFCMUPS-UHFFFAOYSA-N
XLogP-1.36
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-2,4-Imidazolidinedione
CID 10154061
1,3-Bis[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea
CID 44613716
1-Ethyl-3-[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea
CID 44613717
L-Alanyl-L-Alanyl-L-Alanyl-L-Alaninamide
CID 5496808
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 14259918
N,N-dimethyl-4-[2-oxo-2-(pentan-3-ylamino)ethyl]piperazine-1-carboxamide
CID 45815835
3-Butyl-5-methylimidazolidine-2,4-dione
CID 335477
Imidazolidine-2,4-dione, 1-acetyl-5-methyl-
CID 85822576
5-Methyl-3-(propan-2-yl)imidazolidine-2,4-dione
CID 335468
3-[2-(Dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 83250404
L-Alaninamide, L-alanyl-L-alanyl-
CID 7019944
N,N'-di-l-alanyl-ethylenediamine
CID 359903

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide (CID 103108802) is 2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCC(=O)NC(N)=O.
What is the InChIKey of 2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is NMINRNSKFCMUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-4-13(3)8(15)6(2)11-5-7(14)12-9(10)16/h6,11H,4-5H2,1-3H3,(H3,10,12,14,16).
What are the key properties of 2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide?
2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 230.27 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(carbamoylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).