N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide

C13H28N2O — CID 97230748

IUPACN-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide
SMILESCC[C@H](C)NC(=O)CCN[C@@H](C)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-7-10(2)15-12(16)8-9-14-11(3)13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16)/t10-,11-/m0/s1
InChIKeyGMFPTUIDBJDPIO-QWRGUYRKSA-N
MW228.38 g/mol
LogP2.32
Rot. Bonds6

About N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide

N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide (PubChem CID 97230748) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide
PubChem CID97230748
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide
SMILESCC[C@H](C)NC(=O)CCN[C@@H](C)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-7-10(2)15-12(16)8-9-14-11(3)13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16)/t10-,11-/m0/s1
InChIKeyGMFPTUIDBJDPIO-QWRGUYRKSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-3-[[(2R)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230749
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377
3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821765
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide
CID 62899086
N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide
CID 61022080
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
CID 54900963
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154
N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
CID 60545815
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
CID 61022907
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide
CID 62836284
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide (CID 97230748) is N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide is CC[C@H](C)NC(=O)CCN[C@@H](C)C(C)(C)C.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide?
The InChIKey is GMFPTUIDBJDPIO-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-10(2)15-12(16)8-9-14-11(3)13(4,5)6/h10-11,14H,7-9H2,1-6H3,(H,15,16)/t10-,11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide?
N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide is sourced from PubChem (CID 97230748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).