N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide

C16H25N3O2 — CID 120591033

IUPACN-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-15(2,3)13(20)18-10-11-19-14(21)16(4,17)12-8-6-5-7-9-12/h5-9H,10-11,17H2,1-4H3,(H,18,20)(H,19,21)
InChIKeySWCVRGUGQWYIJN-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.14
Rot. Bonds5

About N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide

N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 120591033) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
PubChem CID120591033
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-15(2,3)13(20)18-10-11-19-14(21)16(4,17)12-8-6-5-7-9-12/h5-9H,10-11,17H2,1-4H3,(H,18,20)(H,19,21)
InChIKeySWCVRGUGQWYIJN-UHFFFAOYSA-N
XLogP1.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide
CID 55078632
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623
2-amino-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpropanamide
CID 55078489
2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride
CID 120588992
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120588866
2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
2-amino-N-(2,2-difluoroethyl)-2-phenylpropanamide
CID 115406878
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-phenylpropanamide
CID 79401075
2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide
CID 120592045
2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 114187562
2-amino-N-[2-[ethyl(propyl)amino]ethyl]-2-phenylpropanamide;dihydrochloride
CID 120597323

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide (CID 120591033) is N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNC(=O)C(C)(N)c1ccccc1.
What is the InChIKey of N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is SWCVRGUGQWYIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-15(2,3)13(20)18-10-11-19-14(21)16(4,17)12-8-6-5-7-9-12/h5-9H,10-11,17H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 120591033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).