N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide

C13H25N3O2 — CID 113409928

IUPACN-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide
SMILESCN(C(=O)CNCCC(=O)NC(C)(C)C)C1CC1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)15-11(17)7-8-14-9-12(18)16(4)10-5-6-10/h10,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyPGVFJNRZVQCSCH-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.50
Rot. Bonds6

About N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide

N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide (PubChem CID 113409928) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide
PubChem CID113409928
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide
SMILESCN(C(=O)CNCCC(=O)NC(C)(C)C)C1CC1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)15-11(17)7-8-14-9-12(18)16(4)10-5-6-10/h10,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyPGVFJNRZVQCSCH-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289120
N-cyclopropyl-2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62976669
2-(tert-butylamino)-N-cyclopentyl-N-methylacetamide
CID 78987089
N-tert-butyl-3-[(4-methylcyclohexyl)methylamino]propanamide
CID 112688557
N-cyclopropyl-N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 63828584
N-cyclopropyl-N-methyl-2-(2-methylbutan-2-ylamino)acetamide
CID 61488557
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide
CID 114223914
N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119691966
N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylacetamide
CID 106247244
N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide
CID 109016044
N-tert-butyl-3-(cyclooctylamino)propanamide
CID 112688516

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide?
The IUPAC name of N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide (CID 113409928) is N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide is CN(C(=O)CNCCC(=O)NC(C)(C)C)C1CC1.
What is the InChIKey of N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide?
The InChIKey is PGVFJNRZVQCSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,3)15-11(17)7-8-14-9-12(18)16(4)10-5-6-10/h10,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide?
N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide has a molecular weight of 255.36 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 113409928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).