2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide

C11H21N3O3S — CID 115775499

IUPAC2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide
SMILESC=CCN(CCO)C(=O)C(CCSC)NC(N)=O
InChIInChI=1S/C11H21N3O3S/c1-3-5-14(6-7-15)10(16)9(4-8-18-2)13-11(12)17/h3,9,15H,1,4-8H2,2H3,(H3,12,13,17)
InChIKeyHTDDLCQQYOWCPU-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.22
Rot. Bonds9

About 2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide

2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide (PubChem CID 115775499) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide
PubChem CID115775499
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide
SMILESC=CCN(CCO)C(=O)C(CCSC)NC(N)=O
InChIInChI=1S/C11H21N3O3S/c1-3-5-14(6-7-15)10(16)9(4-8-18-2)13-11(12)17/h3,9,15H,1,4-8H2,2H3,(H3,12,13,17)
InChIKeyHTDDLCQQYOWCPU-UHFFFAOYSA-N
XLogP-0.22
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide
CID 76892115
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 104869516
2-[butan-2-yl-[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]acetic acid
CID 60828070
(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107822215
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
CID 79027563
(2R)-4-methylsulfanyl-2-(prop-2-enylcarbamoylamino)butanoic acid
CID 40640546
(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
CID 61151608
2-chloro-N-[1-[ethyl(2-hydroxyethyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 78796120
(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)urea
CID 60634739
(2S)-2-(carbamoylamino)-N-methyl-4-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 94330881
2-(carbamoylamino)-N-methyl-4-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55330628

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide (CID 115775499) is 2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide is C=CCN(CCO)C(=O)C(CCSC)NC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide?
The InChIKey is HTDDLCQQYOWCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-3-5-14(6-7-15)10(16)9(4-8-18-2)13-11(12)17/h3,9,15H,1,4-8H2,2H3,(H3,12,13,17).
What are the key properties of 2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide?
2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide has a molecular weight of 275.37 g/mol, XLogP of -0.22, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 115775499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).