2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide

C11H23N3O2 — CID 116657668

IUPAC2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-7(2)12-9(15)8(3)13-10(16)14-11(4,5)6/h7-8H,1-6H3,(H,12,15)(H2,13,14,16)
InChIKeyPMYVAWPMNCQPDY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.00
Rot. Bonds3

About 2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide

2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide (PubChem CID 116657668) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide
PubChem CID116657668
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-7(2)12-9(15)8(3)13-10(16)14-11(4,5)6/h7-8H,1-6H3,(H,12,15)(H2,13,14,16)
InChIKeyPMYVAWPMNCQPDY-UHFFFAOYSA-N
XLogP1.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylcarbamoylamino)-N-cyclopropylpropanamide
CID 115585441
1-tert-butyl-3-(3-oxopentan-2-yl)urea
CID 64994030
1-tert-butyl-3-[(2S)-3,3-dimethylbutan-2-yl]urea
CID 159105073
(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-N'-propan-2-ylhexanediamide
CID 130268305
2,2-dimethyl-3-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoylamino]propanoic acid
CID 113407992
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid
CID 103997662
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
1-tert-butyl-3-(propan-2-ylamino)urea
CID 21186040
2-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]propanoic acid
CID 61465806
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103997635
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 103997676
2-(ethylamino)-2-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]propanamide
CID 113407049

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide (CID 116657668) is 2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NC(=O)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide?
The InChIKey is PMYVAWPMNCQPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-7(2)12-9(15)8(3)13-10(16)14-11(4,5)6/h7-8H,1-6H3,(H,12,15)(H2,13,14,16).
What are the key properties of 2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide?
2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide has a molecular weight of 229.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylcarbamoylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 116657668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).