N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide

C17H35N3O2 — CID 130333097

IUPACN-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide
SMILESCC(C)(C)C(C(=O)NCCCCCNC(=O)CN)C(C)(C)C
InChIInChI=1S/C17H35N3O2/c1-16(2,3)14(17(4,5)6)15(22)20-11-9-7-8-10-19-13(21)12-18/h14H,7-12,18H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyMZHBYDWTRCCGRO-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.06
Rot. Bonds8

About N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide

N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide (PubChem CID 130333097) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide
PubChem CID130333097
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC NameN-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide
SMILESCC(C)(C)C(C(=O)NCCCCCNC(=O)CN)C(C)(C)C
InChIInChI=1S/C17H35N3O2/c1-16(2,3)14(17(4,5)6)15(22)20-11-9-7-8-10-19-13(21)12-18/h14H,7-12,18H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyMZHBYDWTRCCGRO-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide 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

acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide
CID 54606253
2-amino-N-[8-(methylamino)octyl]acetamide
CID 154671547
2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
CID 154670935
2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide
CID 160835672
tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
CID 23591745
6-[(2-aminoacetyl)amino]hexanoic acid;methane
CID 144591322
2-amino-N-(3-cyanopropyl)acetamide
CID 62666255
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
tert-butyl N-[[6-[(2-aminoacetyl)amino]hexylamino]-(methylideneamino)methyl]carbamate
CID 150499844
2-amino-N-[2-[3-[(2-methylpropan-2-yl)oxy]propylamino]-2-oxoethyl]acetamide
CID 147267401
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide?
The IUPAC name of N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide (CID 130333097) is N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide is CC(C)(C)C(C(=O)NCCCCCNC(=O)CN)C(C)(C)C.
What is the InChIKey of N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide?
The InChIKey is MZHBYDWTRCCGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-16(2,3)14(17(4,5)6)15(22)20-11-9-7-8-10-19-13(21)12-18/h14H,7-12,18H2,1-6H3,(H,19,21)(H,20,22).
What are the key properties of N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide?
N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide has a molecular weight of 313.49 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide is sourced from PubChem (CID 130333097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).