butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide

C21H34N4O4 — CID 145005816

IUPACbutanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C.CCCC(N)=O.NC=O
InChIInChI=1S/C16H22N2O2.C4H9NO.CH3NO/c1-11(18-15(19)20-16(2,3)4)9-12-10-17-14-8-6-5-7-13(12)14;1-2-3-4(5)6;2-1-3/h5-8,10-11,17H,9H2,1-4H3,(H,18,19);2-3H2,1H3,(H2,5,6);1H,(H2,2,3)
InChIKeyOQNUAPQAHZVJKU-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.00
Rot. Bonds5

About butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide

butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide (PubChem CID 145005816) has the molecular formula C21H34N4O4 and a molecular weight of 406.53 g/mol. Its IUPAC name is butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide.

Molecular Properties

Compound Namebutanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide
PubChem CID145005816
Molecular FormulaC21H34N4O4
Molecular Weight406.53 g/mol
Exact Mass406.26
IUPAC Namebutanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C.CCCC(N)=O.NC=O
InChIInChI=1S/C16H22N2O2.C4H9NO.CH3NO/c1-11(18-15(19)20-16(2,3)4)9-12-10-17-14-8-6-5-7-13(12)14;1-2-3-4(5)6;2-1-3/h5-8,10-11,17H,9H2,1-4H3,(H,18,19);2-3H2,1H3,(H2,5,6);1H,(H2,2,3)
InChIKeyOQNUAPQAHZVJKU-UHFFFAOYSA-N
XLogP3.00
TPSA140.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide 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

tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
CID 153378625
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
tert-butyl N-[(2R)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 131724766
benzyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formic acid
CID 171634662
tert-butyl N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7109658
benzyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10318477
prop-2-enyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11210113
4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 3933942
3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid
CID 174209743
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 141497197
[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium
CID 142070934

Frequently Asked Questions

What is the IUPAC name of butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide?
The IUPAC name of butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide (CID 145005816) is butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide.
What is the SMILES notation for butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide?
The canonical SMILES for butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide is CC(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C.CCCC(N)=O.NC=O.
What is the InChIKey of butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide?
The InChIKey is OQNUAPQAHZVJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.C4H9NO.CH3NO/c1-11(18-15(19)20-16(2,3)4)9-12-10-17-14-8-6-5-7-13(12)14;1-2-3-4(5)6;2-1-3/h5-8,10-11,17H,9H2,1-4H3,(H,18,19);2-3H2,1H3,(H2,5,6);1H,(H2,2,3).
What are the key properties of butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide?
butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide has a molecular weight of 406.53 g/mol, XLogP of 3.00, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide is sourced from PubChem (CID 145005816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).