N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide

C18H28N2O2 — CID 145021408

IUPACN-tert-butyl-4-(3-phenylpropanoylamino)pentanamide
SMILESCC(CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14(10-12-17(22)20-18(2,3)4)19-16(21)13-11-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyPLGVCOYCGCHDKR-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.82
Rot. Bonds7

About N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide

N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide (PubChem CID 145021408) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-phenylpropanoylamino)pentanamide
PubChem CID145021408
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-tert-butyl-4-(3-phenylpropanoylamino)pentanamide
SMILESCC(CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14(10-12-17(22)20-18(2,3)4)19-16(21)13-11-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyPLGVCOYCGCHDKR-UHFFFAOYSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N'-tert-butyl-2-(3-phenylpropanoylamino)pentanediamide
CID 118234452
N-(4-bromobutan-2-yl)-3-phenylpropanamide
CID 83178672
4-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzoic acid
CID 119179231
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
tert-butyl N-[(5S)-8-(tert-butylamino)-4,8-dioxo-5-(3-phenylpropanoylamino)octyl]carbamate
CID 158606646
N-(1-cyanopropan-2-yl)-3-phenylpropanamide
CID 62089584
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide?
The IUPAC name of N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide (CID 145021408) is N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide.
What is the SMILES notation for N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide?
The canonical SMILES for N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide is CC(CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1.
What is the InChIKey of N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide?
The InChIKey is PLGVCOYCGCHDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(10-12-17(22)20-18(2,3)4)19-16(21)13-11-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide?
N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide has a molecular weight of 304.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide is sourced from PubChem (CID 145021408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).